0 B6R0.3 COC(=O)[C@H](C)Cl M7191 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 COCC(=N)N M13846 [1,0,0,0,0,0|2,0,1]=4 2 B5R0.1 COC[C@@H](C)O M5850 [1,0,0,0,0,0|1,0,2]=4 3 B5R0.1 COC[C@H](C)O M5856 [1,0,0,0,0,0|1,0,2]=4 4 B5R0.1 C\C(I)=C\CI D16723 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.3 COC(=O)CN G18901 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.5 CC(=O)C(C)O A1243 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.5 CC(Br)C(=O)O B18872 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.5 CC(C)C(N)=O I11048 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.5 CC(Cl)C(=O)Cl C18873 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.5 C[C@@H](Cl)C(=O)O C6128 [1,0,0,0,0,0|1,0,1]=3 11 B5R0.5 C[C@@H](N)C(=O)O A6086 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.5 C[C@H](Cl)C(=O)O C4804 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.5 C[C@H](N)C(N)=O A6327 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.5 CCOC(=O)C(F)Br E1920 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.5 CCOC(=O)C(F)F E5215 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.10 COC(=O)[C@@H](N)CS C7887 [0,1,0,0,0,0|1,0,1]=3 17 B7R1.4 C=C1CCOC1=O M11697 [0,0,0,1,0,0|0,0,0]=1 18 B7R1.4 CC1=C(Br)SC=C1 B5335 [0,0,0,1,0,0|1,1,1]=4 19 B7R1.4 CC1=C(Cl)SC=C1 C1192 [0,0,0,1,0,0|1,1,1]=4 20 B7R1.4 CC1OCCC1=O M5424 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.4 O=C1OCCC1Br B11067 [0,0,0,1,0,0|1,0,1]=3 22 B7R0.2 COC(=O)C[N+](=O)[O-] M18810 [0,0,0,0,0,1|3,0,0]=4 23 B7R0.2 COC(=O)\C=C(\C)N A18843 [0,0,0,0,0,1|1,0,0]=2 24 B4R0.1 CC(=O)NO A3293 [2,0,0,0,0,0|2,0,0]=4 25 B4R0.1 C\C(N)=N\O H13104 [2,0,0,0,0,0|2,0,0]=4 26 B8R0.2 COC(=O)[C@@H](N)C(C)C V7757 [0,1,0,0,0,1|0,0,2]=4 27 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T7815 [0,1,0,0,0,1|1,0,1]=4 28 B8R0.3 CCOC(=O)C(C)CN A14614 [0,2,0,0,0,0|0,0,2]=4 29 B8R0.3 CCOC(=O)[C@@H](N)CS C8432 [0,2,0,0,0,0|1,0,1]=4 30 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,2,0,0,0,0|1,0,1]=4 31 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,2,0,0,0,0|1,0,1]=4 32 B8R0.3 COC(=O)C(N)CCBr M13176 [0,2,0,0,0,0|1,0,1]=4 33 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [0,2,0,0,0,0|1,0,1]=4 34 B6R1.2 CC1=CON=C1 M14375 [1,0,0,1,0,0|1,0,0]=3 35 B6R1.2 O=C1C=CCC1 C18886 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.1 CCC1=NC(C)=CN1 E1457 [0,0,0,1,0,1|2,0,0]=4 37 B8R1.1 CCC1=NC(C)=CN1 E1887 [0,0,0,1,0,1|2,0,0]=4 38 B8R1.1 CCC1=NC(C)=CS1 E0630 [0,0,0,1,0,1|1,1,0]=4 39 B8R1.4 NC1=CC(=O)CCC1 A11848 [0,0,0,1,0,1|2,0,0]=4 40 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [0,0,0,1,0,1|2,0,0]=4 41 B8R1.5 O=C1OC=CC=C1O H13085 [0,1,0,1,0,0|1,0,1]=4 42 B8R1.5 O=C1OC=CC=C1O H13085 [0,1,0,1,0,0|1,0,1]=4 43 B8R1.11 C(=O)C1=C(C)C=CS1 M0714 [0,1,0,1,0,0|0,1,1]=4 44 B8R1.11 C=CN1CCCC1=O P0980 [0,1,0,1,0,0|2,0,0]=4 45 B8R1.11 CSC1=C(C)OC=C1 M6703 [0,1,0,1,0,0|1,0,1]=4 46 B8R1.38 COC(=O)C1CCN1 M19139 [0,1,0,1,0,0|0,0,2]=4 47 B8R1.50 CC1=C(C)C(N)=NO1 A12569 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.50 CC1=C(O)COC1=O H15815 [0,1,0,1,0,0|0,0,0]=2 49 B8R1.50 CC1=NOC(N)=C1C A11501 [0,1,0,1,0,0|2,0,0]=4